Vitas-M small molecule compound
1-[6-ethyl-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521176
SMILES C=CCSc1nnc2c(n1)OC(CC)N(c1c2cccc1)C(=O)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C17H18N4O2S MW 342.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O2S/c1-4-10-24-17-18-16-15(19-20-17)12-8-6-7-9-13(12)21(11(3)22)14(5-2)23-16/h4,6-9,14H,1,5,10H2,2-3H3InChIKey
GKBFBGCQLGZEMY-UHFFFAOYSA-NSynonyms
1(6ethyl3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6ETHYL3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCC1N(C2=CC=CC=C2C3=C(O1)N=C(N=N3)SCC=C)C(=O)C
InChI=1SC17H18N4O2Sc14102417181615(192017)12867913(12)21(11(3)22)14(52)2316h46914H1510H223H3
MFCD03080475
ZINC000002470557
ZINC000002470559
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